2-[(4-methoxyphenoxy)methyl]pyridin-1-ium-3-carboxylic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[(4-methoxyphenoxy)methyl]pyridin-1-ium-3-carboxylic acid; tris(fluoranyl)methanesulfonate Openeye Name: 2-[(4-methoxyphenoxy)methyl]pyridin-1-ium-3-carboxylic acid; trifluoromethanesulfonate CAS Name: 2-[(4-methoxyphenoxy)methyl]-3-pyridin-1-iumcarboxylic acid; trifluoromethanesulfonate IUPAC Name: 2-[(4-methoxyphenoxy)methyl]pyridin-1-ium-3-carboxylic acid; trifluoromethanesulfonate Traditional Name: 2-[(4-methoxyphenoxy)methyl]pyridin-1-ium-3-carboxylic acid triflate Formula: C15H14F3NO7S MolecularWeight: 409.33437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=C(C=CC=[NH+]2)C(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=C(C=CC=[NH+]2)C(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H13NO4.CHF3O3S/c1-18-10-4-6-11(7-5-10)19-9-13-12(14(16)17)3-2-8-15-13;2-1(3,4)8(5,6)7/h2-8H,9H2,1H3,(H,16,17);(H,5,6,7)